(2-anilinopyrimidin-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C19H19N7O — CID 74233329

IUPAC(2-anilinopyrimidin-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cnc(Nc2ccccc2)nc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H19N7O/c27-17(25-9-11-26(12-10-25)19-20-7-4-8-21-19)15-13-22-18(23-14-15)24-16-5-2-1-3-6-16/h1-8,13-14H,9-12H2,(H,22,23,24)
InChIKeyBUNDYDPKXVPOFI-UHFFFAOYSA-N
MW361.41 g/mol
LogP1.97
Rot. Bonds4

About (2-anilinopyrimidin-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(2-anilinopyrimidin-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 74233329) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is (2-anilinopyrimidin-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-anilinopyrimidin-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID74233329
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name(2-anilinopyrimidin-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cnc(Nc2ccccc2)nc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H19N7O/c27-17(25-9-11-26(12-10-25)19-20-7-4-8-21-19)15-13-22-18(23-14-15)24-16-5-2-1-3-6-16/h1-8,13-14H,9-12H2,(H,22,23,24)
InChIKeyBUNDYDPKXVPOFI-UHFFFAOYSA-N
XLogP1.97
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2-fluoroanilino)pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109262279
(2-anilinopyrimidin-5-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 72914559
[2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109258694
(2-anilinopyrimidin-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 74240836
[2-(tert-butylamino)pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109262256
[2-(4-methoxyanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261137
[2-(3-chloroanilino)pyrimidin-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109262201
(2-anilinopyrimidin-5-yl)-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 56740872
4-[5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carbaldehyde
CID 109254496
phenyl-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone
CID 39998474
(2-anilinopyrimidin-5-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 74232162
[6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4155185

Frequently Asked Questions

What is the IUPAC name of (2-anilinopyrimidin-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (2-anilinopyrimidin-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 74233329) is (2-anilinopyrimidin-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-anilinopyrimidin-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2-anilinopyrimidin-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(c1cnc(Nc2ccccc2)nc1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (2-anilinopyrimidin-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is BUNDYDPKXVPOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O/c27-17(25-9-11-26(12-10-25)19-20-7-4-8-21-19)15-13-22-18(23-14-15)24-16-5-2-1-3-6-16/h1-8,13-14H,9-12H2,(H,22,23,24).
What are the key properties of (2-anilinopyrimidin-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(2-anilinopyrimidin-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 361.41 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilinopyrimidin-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 74233329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).